6-(3-hydroxyphenyl)octan-3-one

C14H20O2 — CID 83930268

IUPAC6-(3-hydroxyphenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1cccc(O)c1
InChIInChI=1S/C14H20O2/c1-3-11(8-9-13(15)4-2)12-6-5-7-14(16)10-12/h5-7,10-11,16H,3-4,8-9H2,1-2H3
InChIKeyQFEYCPNIKHRGLN-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.65
Rot. Bonds6

About 6-(3-hydroxyphenyl)octan-3-one

6-(3-hydroxyphenyl)octan-3-one (PubChem CID 83930268) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-(3-hydroxyphenyl)octan-3-one.

Molecular Properties

Compound Name6-(3-hydroxyphenyl)octan-3-one
PubChem CID83930268
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-(3-hydroxyphenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1cccc(O)c1
InChIInChI=1S/C14H20O2/c1-3-11(8-9-13(15)4-2)12-6-5-7-14(16)10-12/h5-7,10-11,16H,3-4,8-9H2,1-2H3
InChIKeyQFEYCPNIKHRGLN-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-phenyloctan-3-one
CID 83936524
6-(3,4-dipropoxyphenyl)octan-3-one
CID 83931984
3-hex-5-yn-3-ylphenol
CID 83930314
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
3-octan-4-ylphenol
CID 54137408
(2S)-1-(3-hydroxyphenyl)-2-phenylbutan-1-one
CID 125480458
1-(2,6-dihydroxyphenyl)-4-phenylhexan-1-one
CID 140936055
3-methylphenol;pentan-3-one
CID 174814011
3-(1-hydroxy-3-methylsulfanylpropan-2-yl)phenol
CID 117243175
methylcarbamic acid;3-pentan-2-ylphenol
CID 174607568
1-(3-hydroxyphenyl)-1-methoxybutan-2-one
CID 83226773
[5-hydroxy-2-[2-(3-hydroxyphenyl)butyl]phenyl]phosphonic acid
CID 56977149

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxyphenyl)octan-3-one?
The IUPAC name of 6-(3-hydroxyphenyl)octan-3-one (CID 83930268) is 6-(3-hydroxyphenyl)octan-3-one.
What is the SMILES notation for 6-(3-hydroxyphenyl)octan-3-one?
The canonical SMILES for 6-(3-hydroxyphenyl)octan-3-one is CCC(=O)CCC(CC)c1cccc(O)c1.
What is the InChIKey of 6-(3-hydroxyphenyl)octan-3-one?
The InChIKey is QFEYCPNIKHRGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-3-11(8-9-13(15)4-2)12-6-5-7-14(16)10-12/h5-7,10-11,16H,3-4,8-9H2,1-2H3.
What are the key properties of 6-(3-hydroxyphenyl)octan-3-one?
6-(3-hydroxyphenyl)octan-3-one has a molecular weight of 220.31 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxyphenyl)octan-3-one is sourced from PubChem (CID 83930268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).